4-(4-chlorophenyl)-5-phenyl-2-(3-pyrrolidin-1-ylpropyl)triazole

C21H23ClN4 — CID 24985235

IUPAC4-(4-chlorophenyl)-5-phenyl-2-(3-pyrrolidin-1-ylpropyl)triazole
SMILESClc1ccc(-c2nn(CCCN3CCCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H23ClN4/c22-19-11-9-18(10-12-19)21-20(17-7-2-1-3-8-17)23-26(24-21)16-6-15-25-13-4-5-14-25/h1-3,7-12H,4-6,13-16H2
InChIKeyKNFJJWWYDSKJKZ-UHFFFAOYSA-N
MW366.90 g/mol
LogP4.75
Rot. Bonds6

About 4-(4-chlorophenyl)-5-phenyl-2-(3-pyrrolidin-1-ylpropyl)triazole

4-(4-chlorophenyl)-5-phenyl-2-(3-pyrrolidin-1-ylpropyl)triazole (PubChem CID 24985235) has the molecular formula C21H23ClN4 and a molecular weight of 366.90 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-phenyl-2-(3-pyrrolidin-1-ylpropyl)triazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-phenyl-2-(3-pyrrolidin-1-ylpropyl)triazole
PubChem CID24985235
Molecular FormulaC21H23ClN4
Molecular Weight366.90 g/mol
Exact Mass366.16
IUPAC Name4-(4-chlorophenyl)-5-phenyl-2-(3-pyrrolidin-1-ylpropyl)triazole
SMILESClc1ccc(-c2nn(CCCN3CCCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H23ClN4/c22-19-11-9-18(10-12-19)21-20(17-7-2-1-3-8-17)23-26(24-21)16-6-15-25-13-4-5-14-25/h1-3,7-12H,4-6,13-16H2
InChIKeyKNFJJWWYDSKJKZ-UHFFFAOYSA-N
XLogP4.75
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.90
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]propyl]piperidine
CID 24985582
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
4-(4-chlorophenyl)-N-methyl-5-phenyl-N-piperidin-1-yltriazole-2-carboxamide
CID 24955585
1-[3-(4-chloro-3-phenylphenoxy)propyl]pyrrolidine
CID 91053394
3,5-diphenyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-amine
CID 10471976
7-(4,5-diphenyltriazol-2-yl)heptanoic acid
CID 71344331
4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 61494408
2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide
CID 69293752

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-phenyl-2-(3-pyrrolidin-1-ylpropyl)triazole?
The IUPAC name of 4-(4-chlorophenyl)-5-phenyl-2-(3-pyrrolidin-1-ylpropyl)triazole (CID 24985235) is 4-(4-chlorophenyl)-5-phenyl-2-(3-pyrrolidin-1-ylpropyl)triazole.
What is the SMILES notation for 4-(4-chlorophenyl)-5-phenyl-2-(3-pyrrolidin-1-ylpropyl)triazole?
The canonical SMILES for 4-(4-chlorophenyl)-5-phenyl-2-(3-pyrrolidin-1-ylpropyl)triazole is Clc1ccc(-c2nn(CCCN3CCCC3)nc2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-phenyl-2-(3-pyrrolidin-1-ylpropyl)triazole?
The InChIKey is KNFJJWWYDSKJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4/c22-19-11-9-18(10-12-19)21-20(17-7-2-1-3-8-17)23-26(24-21)16-6-15-25-13-4-5-14-25/h1-3,7-12H,4-6,13-16H2.
What are the key properties of 4-(4-chlorophenyl)-5-phenyl-2-(3-pyrrolidin-1-ylpropyl)triazole?
4-(4-chlorophenyl)-5-phenyl-2-(3-pyrrolidin-1-ylpropyl)triazole has a molecular weight of 366.90 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-phenyl-2-(3-pyrrolidin-1-ylpropyl)triazole is sourced from PubChem (CID 24985235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).